In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 21 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.38 | 0.87 | -11.37 | 3 | 8 | 0 | 113 | 294.311 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.38 | 3.14 | -51.37 | 4 | 8 | 1 | 115 | 295.319 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.